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38 lines
632 B
ReStructuredText
38 lines
632 B
ReStructuredText
.. _diagonalize_h:
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.. program:: diagonalize_h
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=============
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diagonalize_h
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=============
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Program that extracts the :option:`determinants n_states` lowest states of the Hamiltonian within the set of Slater determinants stored in the EZFIO folder.
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If :option:`determinants s2_eig` = True, it will retain only states
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which corresponds to the desired value of :option:`determinants expected_s2`.
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Needs:
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.. hlist::
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:columns: 3
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* :c:data:`read_wf`
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Calls:
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.. hlist::
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:columns: 3
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* :c:func:`routine`
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Touches:
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.. hlist::
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:columns: 3
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* :c:data:`read_wf`
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